N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-3-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)SCC

InChI

InChI=1S/C21H25N7OS/c1-3-9-22-18-16-13-25-28(19(16)27-21(26-18)30-4-2)11-10-23-20(29)15-12-24-17-8-6-5-7-14(15)17/h5-8,12-13,24H,3-4,9-11H2,1-2H3,(H,23,29)(H,22,26,27)